7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C23H20N4O2S — CID 22638596

IUPAC7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=C(c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O2S/c28-21-18(20-14-30-22(26-20)15-6-8-24-9-7-15)12-16-4-5-17(13-19(16)25-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,25,28)
InChIKeyXQVRYCHBRUAEMD-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.34
Rot. Bonds3

About 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 22638596) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID22638596
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=C(c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O2S/c28-21-18(20-14-30-22(26-20)15-6-8-24-9-7-15)12-16-4-5-17(13-19(16)25-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,25,28)
InChIKeyXQVRYCHBRUAEMD-UHFFFAOYSA-N
XLogP4.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 22638596) is 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=C(c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1)N1CCCCC1.
What is the InChIKey of 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is XQVRYCHBRUAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-21-18(20-14-30-22(26-20)15-6-8-24-9-7-15)12-16-4-5-17(13-19(16)25-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,25,28).
What are the key properties of 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 416.51 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 22638596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).